12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione

C13H9NO7 — CID 144590845

IUPAC12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione
SMILESO=C1Oc2cc3ccccc3n(c2=O)OC(=O)C(O)C1O
InChIInChI=1S/C13H9NO7/c15-9-10(16)13(19)21-14-7-4-2-1-3-6(7)5-8(11(14)17)20-12(9)18/h1-5,9-10,15-16H
InChIKeyVEYCDBDOCFZFSJ-UHFFFAOYSA-N
MW291.21 g/mol
LogP-1.40
Rot. Bonds

About 12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione

12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione (PubChem CID 144590845) has the molecular formula C13H9NO7 and a molecular weight of 291.21 g/mol. Its IUPAC name is 12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione.

Molecular Properties

Compound Name12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione
PubChem CID144590845
Molecular FormulaC13H9NO7
Molecular Weight291.21 g/mol
Exact Mass291.04
IUPAC Name12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione
SMILESO=C1Oc2cc3ccccc3n(c2=O)OC(=O)C(O)C1O
InChIInChI=1S/C13H9NO7/c15-9-10(16)13(19)21-14-7-4-2-1-3-6(7)5-8(11(14)17)20-12(9)18/h1-5,9-10,15-16H
InChIKeyVEYCDBDOCFZFSJ-UHFFFAOYSA-N
XLogP-1.40
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione?
The IUPAC name of 12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione (CID 144590845) is 12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione.
What is the SMILES notation for 12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione?
The canonical SMILES for 12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione is O=C1Oc2cc3ccccc3n(c2=O)OC(=O)C(O)C1O.
What is the InChIKey of 12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione?
The InChIKey is VEYCDBDOCFZFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO7/c15-9-10(16)13(19)21-14-7-4-2-1-3-6(7)5-8(11(14)17)20-12(9)18/h1-5,9-10,15-16H.
What are the key properties of 12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione?
12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione has a molecular weight of 291.21 g/mol, XLogP of -1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12,13-dihydroxy-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2,4,6,8-tetraene-11,14,16-trione is sourced from PubChem (CID 144590845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).